3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C22H26N2O4S — CID 51933237

IUPAC3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCOc1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C22H26N2O4S/c1-24(19-9-5-7-15-6-3-4-8-18(15)19)22(25)16-10-13-20(28-2)21(14-16)29(26,27)23-17-11-12-17/h3-4,6,8,10,13-14,17,19,23H,5,7,9,11-12H2,1-2H3/t19-/m0/s1
InChIKeyZKAABIPCXYALOK-IBGZPJMESA-N
MW414.53 g/mol
LogP3.29
Rot. Bonds6

About 3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 51933237) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID51933237
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESCOc1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C22H26N2O4S/c1-24(19-9-5-7-15-6-3-4-8-18(15)19)22(25)16-10-13-20(28-2)21(14-16)29(26,27)23-17-11-12-17/h3-4,6,8,10,13-14,17,19,23H,5,7,9,11-12H2,1-2H3/t19-/m0/s1
InChIKeyZKAABIPCXYALOK-IBGZPJMESA-N
XLogP3.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbenzamide
CID 55533364
3-(cyclopropylsulfamoyl)-N-[(2-fluorophenyl)methyl]-4-methoxy-N-methylbenzamide
CID 51195778
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
4-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 30875842
3-(cyclopentylsulfamoyl)-4-methoxy-N-methyl-N-(2-phenoxyethyl)benzamide
CID 27822020
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
2-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-ethylamino]acetic acid
CID 119205722
2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103754184
3-(6-methoxypyridazin-3-yl)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 125165313
3-(cyclopropylsulfamoyl)-4-methoxy-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 17468943
3-(cyclopropylsulfamoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]-4-methoxybenzamide
CID 18155370
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 51933237) is 3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is COc1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is ZKAABIPCXYALOK-IBGZPJMESA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-24(19-9-5-7-15-6-3-4-8-18(15)19)22(25)16-10-13-20(28-2)21(14-16)29(26,27)23-17-11-12-17/h3-4,6,8,10,13-14,17,19,23H,5,7,9,11-12H2,1-2H3/t19-/m0/s1.
What are the key properties of 3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 414.53 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 51933237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).